General Information of the Compound
| Compound ID |
CP0324038
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| Compound Name |
(5-Amino-1-O-tolyl-1H-pyrazol-4-yl)phenylmethanone
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| Structure |
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| Formula |
C17H15N3O
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| Molecular Weight |
277.327
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| Canonical SMILES |
Cc1ccccc1-n1ncc(C(=O)c2ccccc2)c1N
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| InChI |
InChI=1S/C17H15N3O/c1-12-7-5-6-10-15(12)20-17(18)14(11-19-20)16(21)13-8-3-2-4-9-13/h2-11H,18H2,1H3
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| InChIKey |
WYGCUSHOHRVKKS-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound